benzyl N-(2-formyl-6-methylphenyl)carbamate

C16H15NO3 — CID 123554285

IUPACbenzyl N-(2-formyl-6-methylphenyl)carbamate
SMILESCc1cccc(C=O)c1NC(=O)OCc1ccccc1
InChIInChI=1S/C16H15NO3/c1-12-6-5-9-14(10-18)15(12)17-16(19)20-11-13-7-3-2-4-8-13/h2-10H,11H2,1H3,(H,17,19)
InChIKeyJILHOXOPYJRRJC-UHFFFAOYSA-N
MW269.30 g/mol
LogP3.56
Rot. Bonds4

About benzyl N-(2-formyl-6-methylphenyl)carbamate

benzyl N-(2-formyl-6-methylphenyl)carbamate (PubChem CID 123554285) has the molecular formula C16H15NO3 and a molecular weight of 269.30 g/mol. Its IUPAC name is benzyl N-(2-formyl-6-methylphenyl)carbamate.

Molecular Properties

Compound Namebenzyl N-(2-formyl-6-methylphenyl)carbamate
PubChem CID123554285
Molecular FormulaC16H15NO3
Molecular Weight269.30 g/mol
Exact Mass269.11
IUPAC Namebenzyl N-(2-formyl-6-methylphenyl)carbamate
SMILESCc1cccc(C=O)c1NC(=O)OCc1ccccc1
InChIInChI=1S/C16H15NO3/c1-12-6-5-9-14(10-18)15(12)17-16(19)20-11-13-7-3-2-4-8-13/h2-10H,11H2,1H3,(H,17,19)
InChIKeyJILHOXOPYJRRJC-UHFFFAOYSA-N
XLogP3.56
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

benzyl N-(3-formyl-4-methylphenyl)carbamate
CID 123875597
benzyl 2-(2-formylphenyl)-3-methylbenzoate
CID 170993305
benzyl N-(5-fluoro-2-formylphenyl)carbamate
CID 123244128
benzyl N-[(2S)-1-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-1-oxopropan-2-yl]carbamate
CID 26005830
benzyl N-[4-(2-amino-3-methylphenyl)but-3-enyl]carbamate
CID 170493750
(2R)-3-(2,6-dimethylphenyl)-2-(phenylmethoxycarbonylamino)propanoic acid
CID 73013240
benzyl (E)-3-(2-methylphenyl)prop-2-enoate
CID 16742105
benzyl N-[2-methyl-3-[(E)-2-nitroethenyl]phenyl]carbamate
CID 67995173
3-[2-(2,6-dimethylanilino)-2-oxoethyl]sulfanyl-2-(phenylmethoxycarbonylamino)propanoic acid
CID 113235909
benzyl N-[[2-(2,6-dimethylphenoxy)acetyl]amino]carbamate
CID 4935787
benzyl N-[4-(3-formyl-4-hydroxyphenyl)phenyl]carbamate
CID 53220686
benzyl N-[3-(3-methyl-2-nitrophenyl)prop-2-enyl]carbamate
CID 169472063

Frequently Asked Questions

What is the IUPAC name of benzyl N-(2-formyl-6-methylphenyl)carbamate?
The IUPAC name of benzyl N-(2-formyl-6-methylphenyl)carbamate (CID 123554285) is benzyl N-(2-formyl-6-methylphenyl)carbamate.
What is the SMILES notation for benzyl N-(2-formyl-6-methylphenyl)carbamate?
The canonical SMILES for benzyl N-(2-formyl-6-methylphenyl)carbamate is Cc1cccc(C=O)c1NC(=O)OCc1ccccc1.
What is the InChIKey of benzyl N-(2-formyl-6-methylphenyl)carbamate?
The InChIKey is JILHOXOPYJRRJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO3/c1-12-6-5-9-14(10-18)15(12)17-16(19)20-11-13-7-3-2-4-8-13/h2-10H,11H2,1H3,(H,17,19).
What are the key properties of benzyl N-(2-formyl-6-methylphenyl)carbamate?
benzyl N-(2-formyl-6-methylphenyl)carbamate has a molecular weight of 269.30 g/mol, XLogP of 3.56, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-(2-formyl-6-methylphenyl)carbamate is sourced from PubChem (CID 123554285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).